1,3-dimethyl-7-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[3-[3-(4-pyridyl)-1,2,4-oxadiazol-5-yl]propyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propyl]purine-2,6-dione Traditional Name: 1,3-dimethyl-7-[3-[3-(4-pyridyl)-1,2,4-oxadiazol-5-yl]propyl]xanthine Formula: C17H17N7O3 MolecularWeight: 367.36198

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCC3=NC(=NO3)C4=CC=NC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCC3=NC(=NO3)C4=CC=NC=C4

InChI

InChI=1S/C17H17N7O3/c1-22-15-13(16(25)23(2)17(22)26)24(10-19-15)9-3-4-12-20-14(21-27-12)11-5-7-18-8-6-11/h5-8,10H,3-4,9H2,1-2H3